SCHEMBL4397397

SCHEMBL4397397

CC(C)(C)n1nc(C(=O)NC2CC2)c2ccc(N)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
RET P07949 5/20 0.42
KDR P35968 3/20 0.42
KAT2B Q92831 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR4 Q13639 2/20 0.37
ADA P00813 1/20 0.37
RIPK1 Q13546 1/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4396434 0.81 RET (0.42) RETKDRALDH1A1MEN1KMT2A
SCHEMBL4399184 0.79 GABRP (0.38) RETKDRADA
SCHEMBL5822296 0.79 CCNE1 (0.42) ELANERETKDRKAT2BALDH1A1
SCHEMBL12807927 0.79 HTR4 (0.50) ELANEKAT2BCNR1CNR2ALDH1A1
SCHEMBL4394567 0.79 RAB9A (0.42) ELANERETKDRKAT2BALDH1A1
SCHEMBL12807783 0.73 CYP3A4 (0.47) CNR1CNR2ALDH1A1CYP3A4MEN1
SCHEMBL14356543 0.68 NPC1 (0.43) ALDH1A1MEN1CYP2C9HTTKMT2A
SCHEMBL14356666 0.68 SMN1; SMN2 (0.43) ALDH1A1MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL28947531 0.66 SIRT1 (0.43) ELANEKAT2BCNR1CNR2ALDH1A1
SCHEMBL12188452 0.65 HTR4 (0.50) ELANEKAT2BALDH1A1CYP3A4MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA LEXICON PHARMACEUTICALS, INC. 2009-12-10 US disclosed
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA LEXICON PHARMACEUTICALS, INC. 2009-12-10 US disclosed
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA LEXICON PHARMACEUTICALS, INC. 2009-12-10 US disclosed
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. LEXICON PHARMACEUTICALS, INC. 2008-06-26 US disclosed
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. LEXICON PHARMACEUTICALS, INC. 2008-06-26 US disclosed
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. LEXICON PHARMACEUTICALS, INC. 2008-06-26 US disclosed
WO-2008067121-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 WO disclosed
WO-2007024789-A1 PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2007-03-01 WO disclosed
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. 2007-03-01 US disclosed
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. 2007-03-01 US disclosed
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. 2007-03-01 US disclosed
US-20060258691-A1 Methods and compositions for improving cognition LEXICON PHARMACEUTICALS, INC. 2006-11-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. CHAT, PSEN2, PSEN1 ELANE 2450/4885RET 4670/4885KDR 4737/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A ELANE 1869/4885RET 4669/4885KDR 4849/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP ELANE 4119/4885RET 4484/4885KDR 4872/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP ELANE 3054/4885RET 1981/4885KDR 3446/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.